2,3-Difluorocinnamic acid

Base Information

• Chemical Name: 2,3-Difluorocinnamic acid
• CAS No.: 207981-48-4
• Molecular Formula: C9H6F2O2
• Molecular Weight: 184.142
• Hs Code.: 2916399090
• European Community (EC) Number: 670-868-9
• Wikidata: Q76310525
• ChEMBL ID: CHEMBL529596
• Mol file: 207981-48-4.mol

Synonyms:2,3-Difluorocinnamic acid;207981-48-4;trans-2,3-Difluorocinnamic acid;236746-13-7;(E)-3-(2,3-difluorophenyl)acrylic acid;3-(2,3-Difluorophenyl)acrylic acid;(E)-3-(2,3-difluorophenyl)prop-2-enoic acid;2,3-Difluorocinnamicacid;(2E)-3-(2,3-difluorophenyl)-2-propenoic acid;TCMDC-124298;(2E)-3-(2,3-difluorophenyl)prop-2-enoic acid;2-Propenoic acid, 3-(2,3-difluorophenyl)-, (2E)-;MFCD00061291;2-Propenoic acid, 3-(2,3-difluorophenyl)-;3-(2,3-difluorophenyl)prop-2-enoic Acid;CHEMBL529596;SCHEMBL1339824;NVQHKPLMLCHFSU-SNAWJCMRSA-N;3-(2,3-Difluorophenyl)acrylicacid;trans-alpha,beta-difluorocinnamic acid;3-(2,3-Difluoro-phenyl)acrylic acid;AKOS005064096;AKOS025311059;PS-6471;CS-0192575;CS-0356695;A21668;E89371;EN300-1456956;EN300-1855464;AT-419/43492645;Z1147190964

Chemical Property of 2,3-Difluorocinnamic acid

Chemical Property:

• Vapor Pressure: 0.0017mmHg at 25°C
• Melting Point: 200-202 °C
• Boiling Point: 281.3oC at 760 mmHg
• PKA: 4.16±0.10(Predicted)
• Flash Point: 124oC
• PSA: 37.30000
• Density: 1.45g/cm3
• LogP: 2.06260
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.03358575
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98% ^*data from raw suppliers

trans-2,3-Difluorocinnamic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)C=CC(=O)O
• Isomeric SMILES: C1=CC(=C(C(=C1)F)F)/C=C/C(=O)O